[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(pyridin-2-ylmethylamino)benzenesulfonate

Systemtic Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(pyridin-2-ylmethylamino)benzenesulfonate Openeye Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(2-pyridylmethylamino)benzenesulfonate CAS Name: 4-(2-pyridinylmethylamino)benzenesulfonic acid [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(pyridin-2-ylmethylamino)benzenesulfonate Traditional Name: 4-(2-pyridylmethylamino)benzenesulfonic acid [2-(carbomethoxyamino)-3H-benzimidazol-5-yl] ester Formula: C21H19N5O5S MolecularWeight: 453.47106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NCC4=CC=CC=N4

Isomeric SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NCC4=CC=CC=N4

InChI

InChI=1S/C21H19N5O5S/c1-30-21(27)26-20-24-18-10-7-16(12-19(18)25-20)31-32(28,29)17-8-5-14(6-9-17)23-13-15-4-2-3-11-22-15/h2-12,23H,13H2,1H3,(H2,24,25,26,27)